Potential Energy Surfaces Using Algebraic Methods Based on Unitary Groups

Table 4

Experimental and calculated energies, given as differences of energy, for ¹¹𝐵𝐹₃. Fit 1 is obtained by diagonalizing the Hamiltonian (148), while Fit 2 corresponds to the equivalent description in the harmonic limit. In the last row the 𝑟𝑚𝑠 is displayed.

Polyad	State	Exp. [120]	Fit 1	Fit 2
		Symmetry 𝐴^1
4	11	885.84	0.4	2.4
4	42	959.31	0.9	0.2
6	22	1384.96	0.	0.3
8	31  41	1929.68	0	0.0
		Symmetry𝐸′
2	41	479.35	−0.2	-3.
4	42	959.69	−0.7	0.6
6	11  41	1361.32	0.2	−1.
6	31	1453.96	0.	−5.4
8	11  42	1837.73	−0.2	2.1
8	22  41	1866.12	0.	0.5
8	31  41	1931.92	0.	0
10	12  41	2240.94	0.1	0.3
10	11  31	2336.20	−0.7	−5.1
12	11  31  41	2810.70	−0.3	0.3
12	32	2905.36	0.5	7.8
14	13  41	3118.20	−0.1	1.
14	12  31	3216.32	−0.1	−5.3
16	12  31  41	3687.14	0.4	−0.1
16	11  32	3783.84	0.3	5.7
18	33	4310.26	−0.3	−4.5
		Symmetry 𝐴^2
3	21	691.21	0	0.4
7	11  21	1573.73	0	−0.2
9	23	2081.12	0.	−0.3
		Symmetry 𝐸′′
5	21  41	1171.49	0.	−1.
9	21  31	2139.68	0	0
rms			0.52	4.69